6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one

C23H18ClN3O — CID 137438953

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C2CC2)cc(Cl)n1
InChIInChI=1S/C23H18ClN3O/c1-13-11-16(12-18(24)26-13)20-19(14-7-8-14)21-17(28)9-10-25-23(21)27-22(20)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8H2,1H3,(H,25,27,28)
InChIKeyAKIILEXRWIKFKS-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.49
Rot. Bonds3

About 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438953) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438953
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C2CC2)cc(Cl)n1
InChIInChI=1S/C23H18ClN3O/c1-13-11-16(12-18(24)26-13)20-19(14-7-8-14)21-17(28)9-10-25-23(21)27-22(20)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8H2,1H3,(H,25,27,28)
InChIKeyAKIILEXRWIKFKS-UHFFFAOYSA-N
XLogP5.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438953) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C2CC2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is AKIILEXRWIKFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-13-11-16(12-18(24)26-13)20-19(14-7-8-14)21-17(28)9-10-25-23(21)27-22(20)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8H2,1H3,(H,25,27,28).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 387.87 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).